2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol

C14H21F5O — CID 20743918

IUPAC2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol
SMILESOC(C1CCC(F)CC1)(C1CCC(F)CC1)C(F)(F)F
InChIInChI=1S/C14H21F5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h9-12,20H,1-8H2
InChIKeyGKRMDIYMJIAXNV-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.34
Rot. Bonds2

About 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol

2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol (PubChem CID 20743918) has the molecular formula C14H21F5O and a molecular weight of 300.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol
PubChem CID20743918
Molecular FormulaC14H21F5O
Molecular Weight300.31 g/mol
Exact Mass300.15
IUPAC Name2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol
SMILESOC(C1CCC(F)CC1)(C1CCC(F)CC1)C(F)(F)F
InChIInChI=1S/C14H21F5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h9-12,20H,1-8H2
InChIKeyGKRMDIYMJIAXNV-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-2-[4-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 23570050
2-cyclopropyl-1,1,1-trifluoropent-3-yn-2-ol
CID 122452198
2-cyclobutyl-1,1,1-trifluoropropan-2-ol
CID 130685158
4-(trifluoromethyl)cyclohexan-1-ol
CID 129011106
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88585675
2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol
CID 131591979
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol
CID 89383559
(4-fluorocyclohexyl)-dihydroxy-oxo-(2,2,2-trifluoroethyl)-λ6-sulfane
CID 66796050
3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol
CID 165457814
2-cyclopropyl-4-ethyl-1,1,1-trifluorohexan-2-ol
CID 70644379
1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol
CID 154539198
1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 59850826

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol (CID 20743918) is 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol is OC(C1CCC(F)CC1)(C1CCC(F)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol?
The InChIKey is GKRMDIYMJIAXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h9-12,20H,1-8H2.
What are the key properties of 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol?
2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol has a molecular weight of 300.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1,1-bis(4-fluorocyclohexyl)ethanol is sourced from PubChem (CID 20743918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).