(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride

C6H10ClF4N — CID 131637999

IUPAC(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C6H9F4N.ClH/c7-1-4-2-11-3-5(4)6(8,9)10;/h4-5,11H,1-3H2;1H/t4-,5-;/m1./s1
InChIKeyIWAMVOWJTWYEID-TYSVMGFPSA-N
MW207.60 g/mol
LogP1.78
Rot. Bonds1

About (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride

(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride (PubChem CID 131637999) has the molecular formula C6H10ClF4N and a molecular weight of 207.60 g/mol. Its IUPAC name is (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride
PubChem CID131637999
Molecular FormulaC6H10ClF4N
Molecular Weight207.60 g/mol
Exact Mass207.04
IUPAC Name(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride
SMILESCl.FC[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C6H9F4N.ClH/c7-1-4-2-11-3-5(4)6(8,9)10;/h4-5,11H,1-3H2;1H/t4-,5-;/m1./s1
InChIKeyIWAMVOWJTWYEID-TYSVMGFPSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.60
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride?
The IUPAC name of (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride (CID 131637999) is (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride?
The canonical SMILES for (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride is Cl.FC[C@@H]1CNC[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride?
The InChIKey is IWAMVOWJTWYEID-TYSVMGFPSA-N. The full InChI is InChI=1S/C6H9F4N.ClH/c7-1-4-2-11-3-5(4)6(8,9)10;/h4-5,11H,1-3H2;1H/t4-,5-;/m1./s1.
What are the key properties of (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride?
(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride has a molecular weight of 207.60 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 131637999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).