(2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine

C9H20FN — CID 89352994

IUPAC(2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(C[C@H](C)F)C(C)C
InChIInChI=1S/C9H20FN/c1-7(2)11(8(3)4)6-9(5)10/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyKYTHRQTXEHHHLW-VIFPVBQESA-N
MW161.26 g/mol
LogP2.46
Rot. Bonds4

About (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine

(2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 89352994) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine
PubChem CID89352994
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name(2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(C[C@H](C)F)C(C)C
InChIInChI=1S/C9H20FN/c1-7(2)11(8(3)4)6-9(5)10/h7-9H,6H2,1-5H3/t9-/m0/s1
InChIKeyKYTHRQTXEHHHLW-VIFPVBQESA-N
XLogP2.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine (CID 89352994) is (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(C[C@H](C)F)C(C)C.
What is the InChIKey of (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is KYTHRQTXEHHHLW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20FN/c1-7(2)11(8(3)4)6-9(5)10/h7-9H,6H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine?
(2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 89352994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).