[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid

C9H9F3N2O2 — CID 66691532

IUPAC[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O2/c1-5(14-8(15)16)6-2-3-7(13-4-6)9(10,11)12/h2-5,14H,1H3,(H,15,16)/t5-/m1/s1
InChIKeyMMJPNDGJUCZJPO-RXMQYKEDSA-N
MW234.18 g/mol
LogP2.43
Rot. Bonds2

About [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid

[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid (PubChem CID 66691532) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid
PubChem CID66691532
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid
SMILESC[C@@H](NC(=O)O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2O2/c1-5(14-8(15)16)6-2-3-7(13-4-6)9(10,11)12/h2-5,14H,1H3,(H,15,16)/t5-/m1/s1
InChIKeyMMJPNDGJUCZJPO-RXMQYKEDSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid?
The IUPAC name of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid (CID 66691532) is [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid.
What is the SMILES notation for [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid?
The canonical SMILES for [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid is C[C@@H](NC(=O)O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid?
The InChIKey is MMJPNDGJUCZJPO-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-5(14-8(15)16)6-2-3-7(13-4-6)9(10,11)12/h2-5,14H,1H3,(H,15,16)/t5-/m1/s1.
What are the key properties of [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid?
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid has a molecular weight of 234.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamic acid is sourced from PubChem (CID 66691532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).