(3S,4S)-3,4-bis(fluoromethyl)pyrrolidine

C6H11F2N — CID 121210488

IUPAC(3S,4S)-3,4-bis(fluoromethyl)pyrrolidine
SMILESFC[C@@H]1CNC[C@H]1CF
InChIInChI=1S/C6H11F2N/c7-1-5-3-9-4-6(5)2-8/h5-6,9H,1-4H2/t5-,6-/m1/s1
InChIKeyCHLBCTMQBCHAPR-PHDIDXHHSA-N
MW135.16 g/mol
LogP0.76
Rot. Bonds2

About (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine

(3S,4S)-3,4-bis(fluoromethyl)pyrrolidine (PubChem CID 121210488) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3,4-bis(fluoromethyl)pyrrolidine
PubChem CID121210488
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(3S,4S)-3,4-bis(fluoromethyl)pyrrolidine
SMILESFC[C@@H]1CNC[C@H]1CF
InChIInChI=1S/C6H11F2N/c7-1-5-3-9-4-6(5)2-8/h5-6,9H,1-4H2/t5-,6-/m1/s1
InChIKeyCHLBCTMQBCHAPR-PHDIDXHHSA-N
XLogP0.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4R)-3,4-bis(fluoromethyl)pyrrolidine;hydrochloride
CID 121210458
(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride
CID 131637999
2,6-bis(fluoromethyl)morpholine
CID 72698931
(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine
CID 129492988
(3S,4S)-3-(4-ethylphenyl)-4-(fluoromethyl)pyrrolidine
CID 129493276
tert-butyl-[(3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl]carbamic acid
CID 45092306
3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493270
3-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493269
2-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]-1-methylpyrrole
CID 129493890
[(3R,4R)-4-fluoropyrrolidin-3-yl]methanamine
CID 14612509
(3R,4S)-3-(2-chloro-4-methylphenyl)-4-(fluoromethyl)pyrrolidine
CID 129492900
(3S)-3-(fluoromethyl)-5-propan-2-ylpiperidine
CID 164801916

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine?
The IUPAC name of (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine (CID 121210488) is (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine.
What is the SMILES notation for (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine?
The canonical SMILES for (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine is FC[C@@H]1CNC[C@H]1CF.
What is the InChIKey of (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine?
The InChIKey is CHLBCTMQBCHAPR-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11F2N/c7-1-5-3-9-4-6(5)2-8/h5-6,9H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine?
(3S,4S)-3,4-bis(fluoromethyl)pyrrolidine has a molecular weight of 135.16 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-bis(fluoromethyl)pyrrolidine is sourced from PubChem (CID 121210488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).