(3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine

C7H13FN2 — CID 163443582

IUPAC(3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine
SMILESFC[C@H]1CNC[C@H]1N1CC1
InChIInChI=1S/C7H13FN2/c8-3-6-4-9-5-7(6)10-1-2-10/h6-7,9H,1-5H2/t6-,7+/m0/s1
InChIKeyBAPPQEFVXARDML-NKWVEPMBSA-N
MW144.19 g/mol
LogP-0.14
Rot. Bonds2

About (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine

(3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine (PubChem CID 163443582) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine
PubChem CID163443582
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine
SMILESFC[C@H]1CNC[C@H]1N1CC1
InChIInChI=1S/C7H13FN2/c8-3-6-4-9-5-7(6)10-1-2-10/h6-7,9H,1-5H2/t6-,7+/m0/s1
InChIKeyBAPPQEFVXARDML-NKWVEPMBSA-N
XLogP-0.14
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-(fluoromethyl)pyrrolidin-3-amine
CID 10953477
4-(Fluoromethyl)pyrrolidin-3-amine
CID 18762938
4-(Fluoromethyl)-1-methylpyrrolidin-3-amine
CID 22955360
4-(Difluoromethyl)pyrrolidin-3-amine
CID 23149665
4-(Trifluoromethyl)pyrrolidin-3-amine
CID 53696855
(3R,4R)-4-(fluoromethyl)pyrrolidin-3-amine
CID 54291662
(3S,4R)-1-methanidyl-4-(trifluoromethyl)pyrrolidin-1-ium-3-amine
CID 59704488
(3S,4S)-4-(fluoromethyl)-1-methylpyrrolidin-3-amine
CID 59902658
(3R,4R)-4-(difluoromethyl)pyrrolidin-3-amine
CID 69511710
(3S,4S)-4-(difluoromethyl)pyrrolidin-3-amine
CID 69511717
trans-4-(Difluoromethyl)pyrrolidin-3-amine
CID 86679678
rac-(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-amine
CID 89279556

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine?
The IUPAC name of (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine (CID 163443582) is (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine.
What is the SMILES notation for (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine?
The canonical SMILES for (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine is FC[C@H]1CNC[C@H]1N1CC1.
What is the InChIKey of (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine?
The InChIKey is BAPPQEFVXARDML-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13FN2/c8-3-6-4-9-5-7(6)10-1-2-10/h6-7,9H,1-5H2/t6-,7+/m0/s1.
What are the key properties of (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine?
(3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine has a molecular weight of 144.19 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(aziridin-1-yl)-4-(fluoromethyl)pyrrolidine is sourced from PubChem (CID 163443582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).