1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol

C14H24F3NO — CID 79125578

IUPAC1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-4-8-13(19,9-11)12(10-18)6-2-1-3-7-12/h11,19H,1-10,18H2
InChIKeyQDPVKDASBLDSDP-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.38
Rot. Bonds2

About 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79125578) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79125578
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-4-8-13(19,9-11)12(10-18)6-2-1-3-7-12/h11,19H,1-10,18H2
InChIKeyQDPVKDASBLDSDP-UHFFFAOYSA-N
XLogP3.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 79125578) is 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol is NCC1(C2(O)CCCC(C(F)(F)F)C2)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is QDPVKDASBLDSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)11-5-4-8-13(19,9-11)12(10-18)6-2-1-3-7-12/h11,19H,1-10,18H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79125578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).