[4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol

C11H20F3NO — CID 103788583

IUPAC[4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol
SMILESCC(CC(F)(F)F)NC1CCC(CO)CC1
InChIInChI=1S/C11H20F3NO/c1-8(6-11(12,13)14)15-10-4-2-9(7-16)3-5-10/h8-10,15-16H,2-7H2,1H3
InChIKeyUGHNFJDXKNUIJK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol

[4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol (PubChem CID 103788583) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol
PubChem CID103788583
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol
SMILESCC(CC(F)(F)F)NC1CCC(CO)CC1
InChIInChI=1S/C11H20F3NO/c1-8(6-11(12,13)14)15-10-4-2-9(7-16)3-5-10/h8-10,15-16H,2-7H2,1H3
InChIKeyUGHNFJDXKNUIJK-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol (CID 103788583) is [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol is CC(CC(F)(F)F)NC1CCC(CO)CC1.
What is the InChIKey of [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol?
The InChIKey is UGHNFJDXKNUIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(6-11(12,13)14)15-10-4-2-9(7-16)3-5-10/h8-10,15-16H,2-7H2,1H3.
What are the key properties of [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol?
[4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4,4-trifluorobutan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 103788583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).