1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

C12H18F3NO3 — CID 64756736

IUPAC1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)9-1-3-11(4-2-9,10(17)18)16-5-7-19-8-6-16/h9H,1-8H2,(H,17,18)
InChIKeyBBRPKNRQMRWMJS-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.89
Rot. Bonds2

About 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 64756736) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID64756736
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)9-1-3-11(4-2-9,10(17)18)16-5-7-19-8-6-16/h9H,1-8H2,(H,17,18)
InChIKeyBBRPKNRQMRWMJS-UHFFFAOYSA-N
XLogP1.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-piperazin-1-yl-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64755737
1-(2-Methoxyethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756302
1-(Dimethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756735
1-Pyrrolidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756737
1-(Diethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756738
1-Piperidin-1-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756739
1-(Azepan-1-yl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756740
2-[1-Morpholin-4-yl-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64757960
1-Morpholin-4-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64758452
1-Piperidin-1-yl-3-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64758658
2-[1-Morpholin-4-yl-3-(trifluoromethyl)cyclohexyl]acetic acid
CID 64759480
1-[4-(Trifluoromethyl)cyclohexyl]piperidine-2-carboxylic acid
CID 65054264

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 64756736) is 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(N2CCOCC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is BBRPKNRQMRWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)9-1-3-11(4-2-9,10(17)18)16-5-7-19-8-6-16/h9H,1-8H2,(H,17,18).
What are the key properties of 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64756736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).