[4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride

C8H15ClF3N — CID 154827803

IUPAC[4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N.ClH/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h6-7H,1-5,12H2;1H
InChIKeyYKBWPDHAQKLHJK-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.74
Rot. Bonds1

About [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride

[4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride (PubChem CID 154827803) has the molecular formula C8H15ClF3N and a molecular weight of 217.66 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
PubChem CID154827803
Molecular FormulaC8H15ClF3N
Molecular Weight217.66 g/mol
Exact Mass217.08
IUPAC Name[4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3N.ClH/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h6-7H,1-5,12H2;1H
InChIKeyYKBWPDHAQKLHJK-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride (CID 154827803) is [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride is Cl.NCC1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
The InChIKey is YKBWPDHAQKLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.ClH/c9-8(10,11)7-3-1-6(5-12)2-4-7;/h6-7H,1-5,12H2;1H.
What are the key properties of [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride?
[4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 154827803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).