1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride

C7H14ClF2NO — CID 90000450

IUPAC1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9)3-1-6(11,5-10)2-4-7;/h11H,1-5,10H2;1H
InChIKeyKYDIXHKOPOMUPZ-UHFFFAOYSA-N
MW201.64 g/mol
LogP1.31
Rot. Bonds1

About 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride

1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride (PubChem CID 90000450) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride
PubChem CID90000450
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride
SMILESCl.NCC1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H13F2NO.ClH/c8-7(9)3-1-6(11,5-10)2-4-7;/h11H,1-5,10H2;1H
InChIKeyKYDIXHKOPOMUPZ-UHFFFAOYSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride (CID 90000450) is 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride is Cl.NCC1(O)CCC(F)(F)CC1.
What is the InChIKey of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride?
The InChIKey is KYDIXHKOPOMUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c8-7(9)3-1-6(11,5-10)2-4-7;/h11H,1-5,10H2;1H.
What are the key properties of 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride?
1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4,4-difluorocyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 90000450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).