3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine

C10H22F2N2 — CID 142805369

IUPAC3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine
SMILESCCCCC(C(C)N)C(N)(CF)CF
InChIInChI=1S/C10H22F2N2/c1-3-4-5-9(8(2)13)10(14,6-11)7-12/h8-9H,3-7,13-14H2,1-2H3
InChIKeyPESCJICIHOSTDC-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.78
Rot. Bonds7

About 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine

3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine (PubChem CID 142805369) has the molecular formula C10H22F2N2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine.

Molecular Properties

Compound Name3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine
PubChem CID142805369
Molecular FormulaC10H22F2N2
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine
SMILESCCCCC(C(C)N)C(N)(CF)CF
InChIInChI=1S/C10H22F2N2/c1-3-4-5-9(8(2)13)10(14,6-11)7-12/h8-9H,3-7,13-14H2,1-2H3
InChIKeyPESCJICIHOSTDC-UHFFFAOYSA-N
XLogP1.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine?
The IUPAC name of 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine (CID 142805369) is 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine.
What is the SMILES notation for 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine?
The canonical SMILES for 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine is CCCCC(C(C)N)C(N)(CF)CF.
What is the InChIKey of 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine?
The InChIKey is PESCJICIHOSTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2/c1-3-4-5-9(8(2)13)10(14,6-11)7-12/h8-9H,3-7,13-14H2,1-2H3.
What are the key properties of 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine?
3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-fluoro-2-(fluoromethyl)pentane-2,4-diamine is sourced from PubChem (CID 142805369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).