(3S)-3-fluoropyrrolidine;molecular hydrogen

C4H10FN — CID 142415652

IUPAC(3S)-3-fluoropyrrolidine;molecular hydrogen
SMILESF[C@H]1CCNC1.[H][H]
InChIInChI=1S/C4H8FN.H2/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
InChIKeyBIRVWYDSZZMNQK-WCCKRBBISA-N
MW91.13 g/mol
LogP0.56
Rot. Bonds

About (3S)-3-fluoropyrrolidine;molecular hydrogen

(3S)-3-fluoropyrrolidine;molecular hydrogen (PubChem CID 142415652) has the molecular formula C4H10FN and a molecular weight of 91.13 g/mol. Its IUPAC name is (3S)-3-fluoropyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name(3S)-3-fluoropyrrolidine;molecular hydrogen
PubChem CID142415652
Molecular FormulaC4H10FN
Molecular Weight91.13 g/mol
Exact Mass91.08
IUPAC Name(3S)-3-fluoropyrrolidine;molecular hydrogen
SMILESF[C@H]1CCNC1.[H][H]
InChIInChI=1S/C4H8FN.H2/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
InChIKeyBIRVWYDSZZMNQK-WCCKRBBISA-N
XLogP0.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-fluoropyrrolidine;molecular hydrogen
CID 178127411
bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine
CID 174724758
3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
CID 155896849
4-fluoropiperidine;hydrazine;hydrate
CID 157321541
(3S,4R)-4-fluoropiperidin-3-amine
CID 97053659
1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane
CID 144985716
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
(3R,5R)-3,5-difluoropiperidine
CID 96532302
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054
(3R)-3-fluoro-1-[(3R)-pyrrolidin-3-yl]pyrrolidine
CID 123801456
tert-butyl 4-fluorobenzoate;(3S)-3-fluoropyrrolidine;methane
CID 158166003

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoropyrrolidine;molecular hydrogen?
The IUPAC name of (3S)-3-fluoropyrrolidine;molecular hydrogen (CID 142415652) is (3S)-3-fluoropyrrolidine;molecular hydrogen.
What is the SMILES notation for (3S)-3-fluoropyrrolidine;molecular hydrogen?
The canonical SMILES for (3S)-3-fluoropyrrolidine;molecular hydrogen is F[C@H]1CCNC1.[H][H].
What is the InChIKey of (3S)-3-fluoropyrrolidine;molecular hydrogen?
The InChIKey is BIRVWYDSZZMNQK-WCCKRBBISA-N. The full InChI is InChI=1S/C4H8FN.H2/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m0./s1.
What are the key properties of (3S)-3-fluoropyrrolidine;molecular hydrogen?
(3S)-3-fluoropyrrolidine;molecular hydrogen has a molecular weight of 91.13 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoropyrrolidine;molecular hydrogen is sourced from PubChem (CID 142415652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).