(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane

C10H18F2 — CID 121406277

IUPAC(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C10H18F2/c1-8(2)6-9-4-3-5-10(11,12)7-9/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyUWZXZXPNGPXEGV-SECBINFHSA-N
MW176.25 g/mol
LogP3.86
Rot. Bonds2

About (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane

(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane (PubChem CID 121406277) has the molecular formula C10H18F2 and a molecular weight of 176.25 g/mol. Its IUPAC name is (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
PubChem CID121406277
Molecular FormulaC10H18F2
Molecular Weight176.25 g/mol
Exact Mass176.14
IUPAC Name(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@H]1CCCC(F)(F)C1
InChIInChI=1S/C10H18F2/c1-8(2)6-9-4-3-5-10(11,12)7-9/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyUWZXZXPNGPXEGV-SECBINFHSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
5-(2-methylpropyl)-1-oxaspiro[2.5]octane
CID 107430385
2-(3,3-difluorocyclohexyl)-1-(1-methoxycyclobutyl)ethanamine
CID 114224934
2-(bromomethyl)-7-(2-methylpropyl)spiro[2.5]octane
CID 107430677
1-(3,3-difluorocyclohexyl)-3-methylheptan-2-amine
CID 114246637
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
1-chloro-3-(2-methylpropyl)cyclohexane-1-carbonitrile
CID 107430290
[7-(2-methylpropyl)spiro[2.5]octan-2-yl]methanamine
CID 107430357

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane?
The IUPAC name of (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane (CID 121406277) is (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane.
What is the SMILES notation for (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane?
The canonical SMILES for (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane is CC(C)C[C@H]1CCCC(F)(F)C1.
What is the InChIKey of (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane?
The InChIKey is UWZXZXPNGPXEGV-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F2/c1-8(2)6-9-4-3-5-10(11,12)7-9/h8-9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane?
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane has a molecular weight of 176.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 121406277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).