3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol

C14H20F2OS — CID 130361005

IUPAC3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)CCC1CCC(F)(F)CC1
InChIInChI=1S/C14H20F2OS/c1-10-6-9-18-13(10)12(17)3-2-11-4-7-14(15,16)8-5-11/h6,9,11-12,17H,2-5,7-8H2,1H3
InChIKeyOXKYVTVLNREJMH-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.70
Rot. Bonds4

About 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol

3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 130361005) has the molecular formula C14H20F2OS and a molecular weight of 274.38 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID130361005
Molecular FormulaC14H20F2OS
Molecular Weight274.38 g/mol
Exact Mass274.12
IUPAC Name3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1C(O)CCC1CCC(F)(F)CC1
InChIInChI=1S/C14H20F2OS/c1-10-6-9-18-13(10)12(17)3-2-11-4-7-14(15,16)8-5-11/h6,9,11-12,17H,2-5,7-8H2,1H3
InChIKeyOXKYVTVLNREJMH-UHFFFAOYSA-N
XLogP4.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(2-thienyl)methanol
CID 2741016
Cyclopropyl(4-fluorophenyl)thiophen-2-ylmethanol
CID 285500
1,3-Butanediol, 1-(2-thienyl)-4,4,4-trifluoro-3-trifluoromethyl-
CID 36956
4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diol
CID 36969
2-Ethyl-4,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)butane-1,3-diol
CID 36970
{2-[Dimethyl(thiophen-2-yl)silyl]phenyl}methanol
CID 11242115
alpha-Cyclopropyl-2-thiophenemethanol
CID 98065
1,1,1,3,3,3-Hexafluoro-2-(4-thiophen-2-ylphenyl)propan-2-ol
CID 102004321
2-(2-Thienyl)cyclohexanol
CID 2760612
(1S)-1-(1-benzothiophen-3-yl)ethan-1-ol
CID 25128401
1-[4-(Trifluoromethyl)thiophen-2-yl]ethan-1-ol
CID 68589504
(2-Thiophen-2-ylphenyl)methanol
CID 2795559

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol (CID 130361005) is 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1C(O)CCC1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is OXKYVTVLNREJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2OS/c1-10-6-9-18-13(10)12(17)3-2-11-4-7-14(15,16)8-5-11/h6,9,11-12,17H,2-5,7-8H2,1H3.
What are the key properties of 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol?
3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 274.38 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-1-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 130361005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).