1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine

C10H18FN — CID 174295585

IUPAC1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCN1CCC(C(C)C)=C(F)C1
InChIInChI=1S/C10H18FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h8H,4-7H2,1-3H3
InChIKeyWYSWKSPDTMKKMN-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds2

About 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine

1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 174295585) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID174295585
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCN1CCC(C(C)C)=C(F)C1
InChIInChI=1S/C10H18FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h8H,4-7H2,1-3H3
InChIKeyWYSWKSPDTMKKMN-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 140596328
3-fluoro-1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145646345
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
4-Butan-2-ylidene-1-(2-fluoro-2-methylpropyl)piperidine
CID 169614755
3-Fluoro-1-methyl-4-propan-2-ylidenepiperidine
CID 169625533
1-Ethyl-4-(1-fluoroethylidene)piperidine
CID 173019159
5-fluoro-1-methylsulfanyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 174264461
5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 174282058
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205
4-fluoro-1,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 176790190

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 174295585) is 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine is CCN1CCC(C(C)C)=C(F)C1.
What is the InChIKey of 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is WYSWKSPDTMKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-12-6-5-9(8(2)3)10(11)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine?
1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 174295585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).