N,N-bis(2-fluoroethyl)prop-1-en-2-amine

C7H13F2N — CID 163258122

IUPACN,N-bis(2-fluoroethyl)prop-1-en-2-amine
SMILESC=C(C)N(CCF)CCF
InChIInChI=1S/C7H13F2N/c1-7(2)10(5-3-8)6-4-9/h1,3-6H2,2H3
InChIKeyOIUBLHFLEVQMTQ-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.76
Rot. Bonds5

About N,N-bis(2-fluoroethyl)prop-1-en-2-amine

N,N-bis(2-fluoroethyl)prop-1-en-2-amine (PubChem CID 163258122) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is N,N-bis(2-fluoroethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN,N-bis(2-fluoroethyl)prop-1-en-2-amine
PubChem CID163258122
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC NameN,N-bis(2-fluoroethyl)prop-1-en-2-amine
SMILESC=C(C)N(CCF)CCF
InChIInChI=1S/C7H13F2N/c1-7(2)10(5-3-8)6-4-9/h1,3-6H2,2H3
InChIKeyOIUBLHFLEVQMTQ-UHFFFAOYSA-N
XLogP1.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-fluoroethyl)prop-1-en-2-amine?
The IUPAC name of N,N-bis(2-fluoroethyl)prop-1-en-2-amine (CID 163258122) is N,N-bis(2-fluoroethyl)prop-1-en-2-amine.
What is the SMILES notation for N,N-bis(2-fluoroethyl)prop-1-en-2-amine?
The canonical SMILES for N,N-bis(2-fluoroethyl)prop-1-en-2-amine is C=C(C)N(CCF)CCF.
What is the InChIKey of N,N-bis(2-fluoroethyl)prop-1-en-2-amine?
The InChIKey is OIUBLHFLEVQMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-7(2)10(5-3-8)6-4-9/h1,3-6H2,2H3.
What are the key properties of N,N-bis(2-fluoroethyl)prop-1-en-2-amine?
N,N-bis(2-fluoroethyl)prop-1-en-2-amine has a molecular weight of 149.18 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-fluoroethyl)prop-1-en-2-amine is sourced from PubChem (CID 163258122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).