4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol

C12H20F3NO — CID 67072905

IUPAC4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol
SMILESNC(C(F)(F)F)C1(CC2CC2)CCC(O)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10(16)11(7-8-1-2-8)5-3-9(17)4-6-11/h8-10,17H,1-7,16H2
InChIKeyPFOQGKYFUKFZKA-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds3

About 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol

4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol (PubChem CID 67072905) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol
PubChem CID67072905
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol
SMILESNC(C(F)(F)F)C1(CC2CC2)CCC(O)CC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10(16)11(7-8-1-2-8)5-3-9(17)4-6-11/h8-10,17H,1-7,16H2
InChIKeyPFOQGKYFUKFZKA-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol (CID 67072905) is 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol is NC(C(F)(F)F)C1(CC2CC2)CCC(O)CC1.
What is the InChIKey of 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol?
The InChIKey is PFOQGKYFUKFZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10(16)11(7-8-1-2-8)5-3-9(17)4-6-11/h8-10,17H,1-7,16H2.
What are the key properties of 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol?
4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2,2-trifluoroethyl)-4-(cyclopropylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 67072905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).