cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane

C11H21F — CID 121406278

IUPACcis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@]1(F)CCC[C@H](C)C1
InChIInChI=1S/C11H21F/c1-9(2)7-11(12)6-4-5-10(3)8-11/h9-10H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyCXFGKDRSGMHIGM-WDEREUQCSA-N
MW172.29 g/mol
LogP3.95
Rot. Bonds2

About cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane

cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane (PubChem CID 121406278) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
PubChem CID121406278
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Namecis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@]1(F)CCC[C@H](C)C1
InChIInChI=1S/C11H21F/c1-9(2)7-11(12)6-4-5-10(3)8-11/h9-10H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyCXFGKDRSGMHIGM-WDEREUQCSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
CID 145106735
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199
cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373
3-fluoro-3-(2-methylbutyl)cyclohexan-1-amine
CID 112567368
1,1-diethyl-3-methylcyclohexane
CID 19090157
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
2-[(3R)-1-(2-hydroxyethyl)-3-methylcyclohexyl]ethanol
CID 168973967
1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-ol
CID 114224437
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
4-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 43809248

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane?
The IUPAC name of cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane (CID 121406278) is cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane.
What is the SMILES notation for cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane?
The canonical SMILES for cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane is CC(C)C[C@]1(F)CCC[C@H](C)C1.
What is the InChIKey of cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane?
The InChIKey is CXFGKDRSGMHIGM-WDEREUQCSA-N. The full InChI is InChI=1S/C11H21F/c1-9(2)7-11(12)6-4-5-10(3)8-11/h9-10H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane?
cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane has a molecular weight of 172.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-fluoro-3-methyl-1-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 121406278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).