2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid

C13H20F3NO2 — CID 64758162

IUPAC2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(N2CCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)10-3-5-12(6-4-10,9-11(18)19)17-7-1-2-8-17/h10H,1-9H2,(H,18,19)
InChIKeyCHZDBAPLNAKTFO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.05
Rot. Bonds3

About 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid

2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 64758162) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID64758162
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(N2CCCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)10-3-5-12(6-4-10,9-11(18)19)17-7-1-2-8-17/h10H,1-9H2,(H,18,19)
InChIKeyCHZDBAPLNAKTFO-UHFFFAOYSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146895
4-Ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63066946
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63067117
4-Ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067435
2-[Methyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63067436
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexane-1-carboxylic acid
CID 63068144
4-Ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068321
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068481
1-Pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756737
2-[1-(Azepan-1-yl)-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64757959
2-[1-(Dimethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758163
2-[1-(Diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758164

Frequently Asked Questions

What is the IUPAC name of 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid (CID 64758162) is 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid is O=C(O)CC1(N2CCCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is CHZDBAPLNAKTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)10-3-5-12(6-4-10,9-11(18)19)17-7-1-2-8-17/h10H,1-9H2,(H,18,19).
What are the key properties of 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid?
2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 64758162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).