2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride

C8H13ClF3NO2 — CID 71757984

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2.ClH/c9-8(10,11)6-1-3-12(4-2-6)5-7(13)14;/h6H,1-5H2,(H,13,14);1H
InChIKeyJKDPZUMILKHNAM-UHFFFAOYSA-N
MW247.64 g/mol
LogP1.77
Rot. Bonds2

About 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride

2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride (PubChem CID 71757984) has the molecular formula C8H13ClF3NO2 and a molecular weight of 247.64 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride
PubChem CID71757984
Molecular FormulaC8H13ClF3NO2
Molecular Weight247.64 g/mol
Exact Mass247.06
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2.ClH/c9-8(10,11)6-1-3-12(4-2-6)5-7(13)14;/h6H,1-5H2,(H,13,14);1H
InChIKeyJKDPZUMILKHNAM-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.64
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride (CID 71757984) is 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride is Cl.O=C(O)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride?
The InChIKey is JKDPZUMILKHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)6-1-3-12(4-2-6)5-7(13)14;/h6H,1-5H2,(H,13,14);1H.
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride?
2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride has a molecular weight of 247.64 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]acetic acid;hydrochloride is sourced from PubChem (CID 71757984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).