2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol

C14H24F3NO — CID 62707916

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H24F3NO/c1-9(2)10-3-6-13(19)12(7-10)18(11-4-5-11)8-14(15,16)17/h9-13,19H,3-8H2,1-2H3
InChIKeyLMDWTGZUYLDNCW-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62707916) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62707916
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H24F3NO/c1-9(2)10-3-6-13(19)12(7-10)18(11-4-5-11)8-14(15,16)17/h9-13,19H,3-8H2,1-2H3
InChIKeyLMDWTGZUYLDNCW-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 62707916) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is LMDWTGZUYLDNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-9(2)10-3-6-13(19)12(7-10)18(11-4-5-11)8-14(15,16)17/h9-13,19H,3-8H2,1-2H3.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62707916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).