(2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine

C8H14F3N — CID 97044752

IUPAC(2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine
SMILESC[C@@]1(CCC(F)(F)F)CCCN1
InChIInChI=1S/C8H14F3N/c1-7(3-2-6-12-7)4-5-8(9,10)11/h12H,2-6H2,1H3/t7-/m0/s1
InChIKeyVMUHFONHXWJNFM-ZETCQYMHSA-N
MW181.20 g/mol
LogP2.47
Rot. Bonds2

About (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine

(2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 97044752) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID97044752
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine
SMILESC[C@@]1(CCC(F)(F)F)CCCN1
InChIInChI=1S/C8H14F3N/c1-7(3-2-6-12-7)4-5-8(9,10)11/h12H,2-6H2,1H3/t7-/m0/s1
InChIKeyVMUHFONHXWJNFM-ZETCQYMHSA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-(trifluoromethyl)pyrrolidine
CID 15672688
2,2-Dipropylpyrrolidine
CID 13332418
2,2-Dimethyl-3-(trifluoromethyl)pyrrolidine hydrochloride
CID 75508687
3,3-Difluoro-2,2-dimethylpyrrolidine hydrochloride
CID 115013960
2-Ethyl-3,3-difluoro-2-methylpyrrolidine hydrochloride
CID 115017013
2,2-Dipropylpyrrolidine hydrochloride
CID 126810792
8,8-Difluoro-1-azaspiro(4.5)decane hydrochloride
CID 126843941
4-(Difluoromethyl)-2,2-dimethylpyrrolidine hydrochloride
CID 146155128
(7S)-2,2-difluoro-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 165885107
(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane hydrochloride
CID 167736101
2-Ethyl-2-methylpyrrolidine
CID 20713600
2,3-Dimethyl-2-(trifluoromethyl)pyrrolidine
CID 15672691

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine (CID 97044752) is (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine is C[C@@]1(CCC(F)(F)F)CCCN1.
What is the InChIKey of (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is VMUHFONHXWJNFM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3N/c1-7(3-2-6-12-7)4-5-8(9,10)11/h12H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine?
(2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 97044752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).