cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C8H12F3NO — CID 90020228

IUPACcis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h5-6H,1-4H2,(H2,12,13)/t5-,6+/m1/s1
InChIKeyPKRFPPYNZMXOIT-RITPCOANSA-N
MW195.18 g/mol
LogP1.84
Rot. Bonds1

About cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide

cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 90020228) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID90020228
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Namecis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h5-6H,1-4H2,(H2,12,13)/t5-,6+/m1/s1
InChIKeyPKRFPPYNZMXOIT-RITPCOANSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 90020228) is cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide is NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is PKRFPPYNZMXOIT-RITPCOANSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h5-6H,1-4H2,(H2,12,13)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 195.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 90020228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).