3-tert-butyl-2-fluorocyclohexan-1-ol

C10H19FO — CID 164775323

IUPAC3-tert-butyl-2-fluorocyclohexan-1-ol
SMILESCC(C)(C)C1CCCC(O)C1F
InChIInChI=1S/C10H19FO/c1-10(2,3)7-5-4-6-8(12)9(7)11/h7-9,12H,4-6H2,1-3H3
InChIKeyUAYJENUZDCLANO-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.53
Rot. Bonds

About 3-tert-butyl-2-fluorocyclohexan-1-ol

3-tert-butyl-2-fluorocyclohexan-1-ol (PubChem CID 164775323) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-tert-butyl-2-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name3-tert-butyl-2-fluorocyclohexan-1-ol
PubChem CID164775323
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name3-tert-butyl-2-fluorocyclohexan-1-ol
SMILESCC(C)(C)C1CCCC(O)C1F
InChIInChI=1S/C10H19FO/c1-10(2,3)7-5-4-6-8(12)9(7)11/h7-9,12H,4-6H2,1-3H3
InChIKeyUAYJENUZDCLANO-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-tert-butylcyclohexan-1-ol
CID 6995536
(1S,2S,6R)-2-tert-butyl-6-fluorocyclohexan-1-amine
CID 125452002
(1S,2S,6S)-2-tert-butyl-6-fluorocyclohexan-1-amine
CID 125452009
trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
1-(2-tert-butylcyclopentyl)-2,2-difluoroethanol
CID 155261716
(1R)-1-tert-butyl-2-methylcyclopentane
CID 59875251
cis-(1R,2S)-2-(2-methoxypropan-2-yl)cyclopentan-1-ol
CID 10534953
2-(2-aminopropan-2-yl)cyclohexan-1-ol
CID 14687470
cis-(1R,2R)-2-(2-aminopropan-2-yl)cyclohexan-1-ol
CID 14687469
1,2-ditert-butylcyclobutane;1,2-ditert-butylcycloheptane;1,2-ditert-butylcyclohexane;1,2-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 161041308
trans-(1S,2S)-2-fluorocyclododecan-1-ol
CID 23237008
1,2-ditert-butylcyclopentane;1,2-ditert-butyl-4-fluoropyrrolidine
CID 159337585

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-fluorocyclohexan-1-ol?
The IUPAC name of 3-tert-butyl-2-fluorocyclohexan-1-ol (CID 164775323) is 3-tert-butyl-2-fluorocyclohexan-1-ol.
What is the SMILES notation for 3-tert-butyl-2-fluorocyclohexan-1-ol?
The canonical SMILES for 3-tert-butyl-2-fluorocyclohexan-1-ol is CC(C)(C)C1CCCC(O)C1F.
What is the InChIKey of 3-tert-butyl-2-fluorocyclohexan-1-ol?
The InChIKey is UAYJENUZDCLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-10(2,3)7-5-4-6-8(12)9(7)11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 3-tert-butyl-2-fluorocyclohexan-1-ol?
3-tert-butyl-2-fluorocyclohexan-1-ol has a molecular weight of 174.26 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-fluorocyclohexan-1-ol is sourced from PubChem (CID 164775323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).