(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene

C14H20F2O — CID 71243209

IUPAC(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene
SMILESCC1=CC[C@@H](CCC(F)F)C(OCC2CC2)=C1
InChIInChI=1S/C14H20F2O/c1-10-2-5-12(6-7-14(15)16)13(8-10)17-9-11-3-4-11/h2,8,11-12,14H,3-7,9H2,1H3/t12-/m0/s1
InChIKeyDFQYYLHUXICEKZ-LBPRGKRZSA-N
MW242.31 g/mol
LogP4.31
Rot. Bonds6

About (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene

(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene (PubChem CID 71243209) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene
PubChem CID71243209
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene
SMILESCC1=CC[C@@H](CCC(F)F)C(OCC2CC2)=C1
InChIInChI=1S/C14H20F2O/c1-10-2-5-12(6-7-14(15)16)13(8-10)17-9-11-3-4-11/h2,8,11-12,14H,3-7,9H2,1H3/t12-/m0/s1
InChIKeyDFQYYLHUXICEKZ-LBPRGKRZSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070306
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
2,6-Difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
CID 71073041
5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
CID 89247335
6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247358
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247362
5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247369
6-(fluoromethyl)-5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247373
[2-Methyl-6-methylidene-4-(2,2,2-trifluoroethoxy)octa-2,4-dienyl]cyclopropane
CID 91103722

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene (CID 71243209) is (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene is CC1=CC[C@@H](CCC(F)F)C(OCC2CC2)=C1.
What is the InChIKey of (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene?
The InChIKey is DFQYYLHUXICEKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20F2O/c1-10-2-5-12(6-7-14(15)16)13(8-10)17-9-11-3-4-11/h2,8,11-12,14H,3-7,9H2,1H3/t12-/m0/s1.
What are the key properties of (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene?
(6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene has a molecular weight of 242.31 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-(cyclopropylmethoxy)-6-(3,3-difluoropropyl)-3-methylcyclohexa-1,3-diene is sourced from PubChem (CID 71243209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).