3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine

C14H14ClF2NO — CID 158431798

IUPAC3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC(c2ccc(OCC(F)F)cc2)=CCC1Cl
InChIInChI=1S/C14H14ClF2NO/c1-9-12(15)6-7-13(18-9)10-2-4-11(5-3-10)19-8-14(16)17/h2-5,7,12,14,18H,1,6,8H2
InChIKeyHKWKADCFWUPNTP-UHFFFAOYSA-N
MW285.72 g/mol
LogP3.79
Rot. Bonds4

About 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine

3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine (PubChem CID 158431798) has the molecular formula C14H14ClF2NO and a molecular weight of 285.72 g/mol. Its IUPAC name is 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine.

Molecular Properties

Compound Name3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
PubChem CID158431798
Molecular FormulaC14H14ClF2NO
Molecular Weight285.72 g/mol
Exact Mass285.07
IUPAC Name3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
SMILESC=C1NC(c2ccc(OCC(F)F)cc2)=CCC1Cl
InChIInChI=1S/C14H14ClF2NO/c1-9-12(15)6-7-13(18-9)10-2-4-11(5-3-10)19-8-14(16)17/h2-5,7,12,14,18H,1,6,8H2
InChIKeyHKWKADCFWUPNTP-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-[4-(2-methoxyethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine
CID 159270423
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 159204350
3-bromo-2-methylidene-6-(4-prop-2-ynoxyphenyl)-3,4-dihydro-1H-pyridine
CID 162118640
6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-1,3,4,5-tetrahydropyridin-5-ide;yttrium
CID 161280183
2-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159506707
1-[[4-(2,2-difluoroethoxy)phenyl]methyl]piperazine
CID 84805335
1-(bromomethyl)-4-(2,2-difluoroethoxy)benzene
CID 60921505
3-bromo-6-[4-(2,2-difluoroethoxy)phenyl]-1-methyl-2-methylidenepyridine
CID 160922763
2-[4-(2,2-difluoroethoxy)phenyl]-1-ethyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 159935289
2-[4-(2,2-difluoroethoxy)phenyl]-1-(2,2-difluoroethyl)-5-ethynyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158732629
1-(2,2-difluoroethoxy)-4-(2-methoxyethynyl)benzene
CID 156627016
6-(4-ethynylphenyl)-3-methyl-2-methylidene-3,4-dihydro-1H-pyridine
CID 157399359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
The IUPAC name of 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine (CID 158431798) is 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine.
What is the SMILES notation for 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
The canonical SMILES for 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine is C=C1NC(c2ccc(OCC(F)F)cc2)=CCC1Cl.
What is the InChIKey of 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
The InChIKey is HKWKADCFWUPNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NO/c1-9-12(15)6-7-13(18-9)10-2-4-11(5-3-10)19-8-14(16)17/h2-5,7,12,14,18H,1,6,8H2.
What are the key properties of 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine?
3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine has a molecular weight of 285.72 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(2,2-difluoroethoxy)phenyl]-2-methylidene-3,4-dihydro-1H-pyridine is sourced from PubChem (CID 158431798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).