(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol

C12H16F2OS — CID 105112974

IUPAC(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2OS/c1-8-4-7-16-11(8)10(15)9-2-5-12(13,14)6-3-9/h4,7,9-10,15H,2-3,5-6H2,1H3
InChIKeyORSLSRDITANIOA-UHFFFAOYSA-N
MW246.32 g/mol
LogP3.92
Rot. Bonds2

About (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol

(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 105112974) has the molecular formula C12H16F2OS and a molecular weight of 246.32 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
PubChem CID105112974
Molecular FormulaC12H16F2OS
Molecular Weight246.32 g/mol
Exact Mass246.09
IUPAC Name(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2OS/c1-8-4-7-16-11(8)10(15)9-2-5-12(13,14)6-3-9/h4,7,9-10,15H,2-3,5-6H2,1H3
InChIKeyORSLSRDITANIOA-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclopropyl)-(3-methylthiophen-2-yl)methanol
CID 107002507
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
(4,4-difluorocyclohexyl)-(2,3-dimethylphenyl)methanol
CID 105091922
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol
CID 102831356
(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
CID 105091802
(4,4-difluorocyclohexyl)-(3-fluoro-5-methylphenyl)methanol
CID 105116100
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
(3-methylthiophen-2-yl)-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanol
CID 138393597
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol (CID 105112974) is (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is ORSLSRDITANIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2OS/c1-8-4-7-16-11(8)10(15)9-2-5-12(13,14)6-3-9/h4,7,9-10,15H,2-3,5-6H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol?
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 246.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 105112974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).